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Comparative DMFT study of the e_g-orbital Hubbard model in thin films

机译：薄膜中e_g轨道Hubbard模型的DMFT比较研究

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Heterostructures of transition-metal oxides have emerged as a new route to engineer electronic systems with desired functionalities. Motivated by these developments, we study a two-orbital Hubbard model in a thin-film geometry confined along the cubic [001] direction using the dynamical mean-field theory. We contrast the results of two approximate impurity solvers (exact diagonalization and one-crossing approximation) to the results of the numerically exact continuous-time quantum Monte Carlo solver. Consistent with earlier studies, we find that the one-crossing approximation performs well in the insulating regime, while the advantage of the exact-diagonalization-based solver is more pronounced in the metallic regime. We then investigate various aspects of strongly correlated e_g-orbital systems in thin-film geometries. In particular, we show how the interfacial orbital polarization dies off quickly a few layers from the interface and how the film thickness affects the location of the interaction-driven Mott transition. In addition, we explore the changes in the electronic structure with varying carrier concentration and identify large variations of the orbital polarization in the strongly correlated regime.
机译：过渡金属氧化物的异质结构已成为设计具有所需功能的电子系统的新途径。受这些发展的推动，我们使用动力学平均场理论研究了沿立方[001]方向限制的薄膜几何结构中的两轨道Hubbard模型。我们将两个近似的杂质求解器（精确的对角化和单交叉近似）的结果与数值精确的连续时间量子蒙特卡洛求解器的结果进行对比。与早期的研究一致，我们发现单交叉近似在绝缘状态下表现良好，而基于精确对角线化的求解器的优势在金属状态下更为明显。然后，我们研究薄膜几何中高度相关的e_g轨道系统的各个方面。特别是，我们显示了界面轨道极化如何快速从界面消失几层，以及膜厚如何影响相互作用驱动的Mott跃迁的位置。此外，我们探索了随着载流子浓度的变化电子结构的变化，并确定了在强相关状态下轨道极化的大变化。

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